Re: Interaction energy

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Tue Jul 08 2008 - 21:07:10 CDT

Hi Abhijit,
could you run with -debug on and send me the .log file that is output?
Obviously more information is needed to figure out what is happening here.
Also, if you can't find freely available force fields, what force field
are you using with namdenergy? And what one are you looking for? Have
you checked MacKerell's research webpage
(http://mackerell.umaryland.edu/CHARMM_ff_params.html)?

Peter

abhijit ramachandran wrote:
> Hi all,
>
> I was trying to find force interaction between the DNA and the
> membrane during its translocation, in the bionanotechnology tutorial,
> so i tried using the NAMD energy plugin, and i gave the selections as
> resname SIN and segname ADNA, i selected only -elec as the energy type
> but it gave me an error stating Abnormal program termination. COuld
> anyone suggest if i am proceeding the right way or am i skiping
> something important.
>
> The other thing is that i am still not able to find freely available
> forcefields, could any1 guide me in that aspect also.
>
>
> Thanks,
>
> Regards,
>
> Abhijit R
>

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